Molecule

ID:115027

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c1-7-3-4-10(8(2)5-7)14-11(15)9(6-13-14)12(16)17/h3-6,9H,1-2H3,(H,16,17)
InChIKey
ONBBGDGACSZOOB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C=NN(C1=O)c1ccc(cc1C)C
Isomeric Smiles
N1(C(=O)C(C=N1)C(=O)O)c1c(cc(cc1)C)C
Calculated Properties
JChem
Acid pKa
3.8664339
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1619157
LogD (pH = 7.4)
-1.4306266
Log P
1.7999805
Molar Refractivity
61.3901
Polarizability
22.970259
Polar Surface Area
69.97
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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